N-methyl-1-[3-(2-propan-2-yloxyethoxymethyl)-1-benzofuran-2-yl]methanamine

C16H23NO3 — CID 62457094

IUPACN-methyl-1-[3-(2-propan-2-yloxyethoxymethyl)-1-benzofuran-2-yl]methanamine
SMILESCNCc1oc2ccccc2c1COCCOC(C)C
InChIInChI=1S/C16H23NO3/c1-12(2)19-9-8-18-11-14-13-6-4-5-7-15(13)20-16(14)10-17-3/h4-7,12,17H,8-11H2,1-3H3
InChIKeyUQAHQRZBUADNJA-UHFFFAOYSA-N
MW277.36 g/mol
LogP3.09
Rot. Bonds8

About N-methyl-1-[3-(2-propan-2-yloxyethoxymethyl)-1-benzofuran-2-yl]methanamine

N-methyl-1-[3-(2-propan-2-yloxyethoxymethyl)-1-benzofuran-2-yl]methanamine (PubChem CID 62457094) has the molecular formula C16H23NO3 and a molecular weight of 277.36 g/mol. Its IUPAC name is N-methyl-1-[3-(2-propan-2-yloxyethoxymethyl)-1-benzofuran-2-yl]methanamine.

Molecular Properties

Compound NameN-methyl-1-[3-(2-propan-2-yloxyethoxymethyl)-1-benzofuran-2-yl]methanamine
PubChem CID62457094
Molecular FormulaC16H23NO3
Molecular Weight277.36 g/mol
Exact Mass277.17
IUPAC NameN-methyl-1-[3-(2-propan-2-yloxyethoxymethyl)-1-benzofuran-2-yl]methanamine
SMILESCNCc1oc2ccccc2c1COCCOC(C)C
InChIInChI=1S/C16H23NO3/c1-12(2)19-9-8-18-11-14-13-6-4-5-7-15(13)20-16(14)10-17-3/h4-7,12,17H,8-11H2,1-3H3
InChIKeyUQAHQRZBUADNJA-UHFFFAOYSA-N
XLogP3.09
TPSA43.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.36
LogP ≤ 53.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-methyl-1-[2-[2-(2-methylpropoxy)ethoxymethyl]-1-benzofuran-3-yl]methanamine
CID 106449873
N-methyl-1-[3-(2-pyrrolidin-1-ylethoxymethyl)-1-benzofuran-2-yl]methanamine
CID 62459476
N-methyl-1-[3-(2-thiophen-2-ylethoxymethyl)-1-benzofuran-2-yl]methanamine
CID 62485822
N-methyl-N-[[3-(methylaminomethyl)-1-benzofuran-2-yl]methyl]-2-propan-2-yloxyethanamine
CID 81064362
N-[[3-(ethoxymethyl)-1-benzofuran-2-yl]methyl]propan-2-amine
CID 62443711
2-(2-propan-2-yloxyethoxymethyl)-1-benzofuran-3-carboxylic acid
CID 62273945
N,3-dimethyl-N-[[2-(methylaminomethyl)-1-benzofuran-3-yl]methyl]butan-2-amine
CID 62433002
2-methyl-N-[[3-(propoxymethyl)-1-benzofuran-2-yl]methyl]propan-2-amine
CID 62451511
1-[2-(3,3-dimethylbutoxymethyl)-1-benzofuran-3-yl]-N-methylmethanamine
CID 66227085
N-[[3-(butoxymethyl)-1-benzofuran-2-yl]methyl]-2-methylpropan-2-amine
CID 62449526
N-[[3-(2-methylpropoxymethyl)-1-benzofuran-2-yl]methyl]cyclopropanamine
CID 62445692
N-methyl-1-[3-[(6-methyl-3-pyridinyl)oxymethyl]-1-benzofuran-2-yl]methanamine
CID 62442014

Frequently Asked Questions

What is the IUPAC name of N-methyl-1-[3-(2-propan-2-yloxyethoxymethyl)-1-benzofuran-2-yl]methanamine?
The IUPAC name of N-methyl-1-[3-(2-propan-2-yloxyethoxymethyl)-1-benzofuran-2-yl]methanamine (CID 62457094) is N-methyl-1-[3-(2-propan-2-yloxyethoxymethyl)-1-benzofuran-2-yl]methanamine.
What is the SMILES notation for N-methyl-1-[3-(2-propan-2-yloxyethoxymethyl)-1-benzofuran-2-yl]methanamine?
The canonical SMILES for N-methyl-1-[3-(2-propan-2-yloxyethoxymethyl)-1-benzofuran-2-yl]methanamine is CNCc1oc2ccccc2c1COCCOC(C)C.
What is the InChIKey of N-methyl-1-[3-(2-propan-2-yloxyethoxymethyl)-1-benzofuran-2-yl]methanamine?
The InChIKey is UQAHQRZBUADNJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23NO3/c1-12(2)19-9-8-18-11-14-13-6-4-5-7-15(13)20-16(14)10-17-3/h4-7,12,17H,8-11H2,1-3H3.
What are the key properties of N-methyl-1-[3-(2-propan-2-yloxyethoxymethyl)-1-benzofuran-2-yl]methanamine?
N-methyl-1-[3-(2-propan-2-yloxyethoxymethyl)-1-benzofuran-2-yl]methanamine has a molecular weight of 277.36 g/mol, XLogP of 3.09, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-[3-(2-propan-2-yloxyethoxymethyl)-1-benzofuran-2-yl]methanamine is sourced from PubChem (CID 62457094), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).